⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13617273 | 1.00 | — | — | |
| SCHEMBL33269 | 1.00 | — | — | |
| Ethane SCHEMBL9651821 | 0.97 | — | — | |
| SCHEMBL2542626 | 0.72 | — | — | |
| SCHEMBL12850774 | 0.71 | — | — | |
| SCHEMBL14401939 | 0.71 | — | — | |
| SCHEMBL8810422 | 0.71 | — | — | |
| SCHEMBL545598 | 0.71 | — | — | |
| SCHEMBL9633973 | 0.67 | — | — | |
| SCHEMBL3260223 | 0.67 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011111875-A1 | N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2011-09-15 | — | — | WO | disclosed |
| EP-1628685-B1 | ANTIVIRAL PHOSPHONATE ANALOGS | GILEAD SCIENCES INC (US) | 2010-12-08 | — | — | EP | disclosed |
| WO-2009122180-A1 | PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES | MEDICAL RESEARCH COUNCIL (GB) | 2009-10-08 | — | — | WO | disclosed |
| WO-2006021213-A2 | VASOPRESSIN V1A ANTAGONISTS | FERRING B.V. (NL) | 2006-03-02 | — | — | WO | disclosed |